General Information of the Compound
| Compound ID |
CP0254278
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| Compound Name |
(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H19F5N6O3S
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| Molecular Weight |
542.49
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| Canonical SMILES |
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1cnc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F5N6O3S/c1-12-17(24)7-19(33(12)37(35,36)16-4-2-14(23)3-5-16)20(34)28-10-15-6-18(32-11-31-15)13-8-29-21(30-9-13)22(25,26)27/h2-6,8-9,11-12,17,19H,7,10H2,1H3,(H,28,34)/t12-,17+,19-/m0/s1
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| InChIKey |
KZYIBERUTGMWIW-WILYLXEWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound